재정 지원 요구사항을 통해 공개된 자료 - Lucas A Defelipe자세히 알아보기
제공된 곳이 없음: 2
Solvent Sites Improve Docking Performance of Protein–Protein Complexes and Protein–Protein Interface-Targeted Drugs
GF Mayol, LA Defelipe, JP Arcon, AG Turjanski, MA Marti
Journal of Chemical Information and Modeling 62 (15), 3577-3588, 2022
재정 지원 요구사항 정책: European Commission, Government of Argentina
Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB
O Burastero, M Cabrera, ED Lopez, LA Defelipe, JP Arcon, R Durán, ...
Journal of Chemical Information and Modeling 62 (7), 1723-1733, 2022
재정 지원 요구사항 정책: Government of Argentina
제공된 곳이 있음: 33
Molecular dynamics in mixed solvents reveals protein–ligand interactions, improves docking, and allows accurate binding free energy predictions
JP Arcon, LA Defelipe, CP Modenutti, ED López, D Alvarez-Garcia, ...
Journal of chemical information and modeling 57 (4), 846-863, 2017
재정 지원 요구사항 정책: Government of Spain, Government of Argentina
Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines
G A Cardama, M J Comin, L Hornos, N Gonzalez, L Defelipe, ...
Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2014
재정 지원 요구사항 정책: Government of Argentina
Aromatic clusters in protein–protein and protein–drug complexes
E Lanzarotti, LA Defelipe, MA Marti, AG Turjanski
Journal of cheminformatics 12 (1), 30, 2020
재정 지원 요구사항 정책: European Commission, Government of Argentina
Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens
EJ Sosa, G Burguener, E Lanzarotti, L Defelipe, L Radusky, AM Pardo, ...
Nucleic acids research 46 (D1), D413-D418, 2018
재정 지원 요구사항 정책: Government of Argentina
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions
JP Arcon, CP Modenutti, D Avendaño, ED Lopez, LA Defelipe, ...
Bioinformatics 35 (19), 3836-3838, 2019
재정 지원 요구사항 정책: US National Institutes of Health, Government of Argentina
Juvenile hormone synthesis:“esterify then epoxidize” or “epoxidize then esterify”? Insights from the structural characterization of juvenile hormone acid methyltransferase
LA Defelipe, E Dolghih, AE Roitberg, M Nouzova, JG Mayoral, ...
Insect Biochemistry and Molecular Biology 41 (4), 228-235, 2011
재정 지원 요구사항 정책: US National Institutes of Health
FoldAffinity: binding affinities from nDSF experiments
S Niebling, O Burastero, J Bürgi, C Günther, LA Defelipe, S Sander, ...
Scientific Reports 11 (1), 9572, 2021
재정 지원 요구사항 정책: European Molecular Biology Laboratory
TuberQ: a Mycobacterium tuberculosis protein druggability database
L Radusky, LA Defelipe, E Lanzarotti, J Luque, X Barril, MA Marti, ...
Database 2014, 2014
재정 지원 요구사항 정책: Government of Spain, Government of Argentina
Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families
LA Defelipe, E Lanzarotti, D Gauto, MA Marti, AG Turjanski
PLoS computational biology 11 (3), e1004051, 2015
재정 지원 요구사항 정책: Government of Argentina
QM/MM study of the C—C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis
VG Dumas, LA Defelipe, AA Petruk, AG Turjanski, MA Marti
Proteins: Structure, Function, and Bioinformatics 82 (6), 1004-1021, 2014
재정 지원 요구사항 정책: Government of Italy, Government of Argentina
Thiol redox biochemistry: insights from computer simulations
A Zeida, CM Guardia, P Lichtig, LL Perissinotti, LA Defelipe, A Turjanski, ...
Biophysical reviews 6, 27-46, 2014
재정 지원 요구사항 정책: US National Institutes of Health, Government of Spain, Government of Argentina
Solvents to fragments to drugs: MD applications in drug design
LA Defelipe, JP Arcon, CP Modenutti, MA Marti, AG Turjanski, X Barril
Molecules 23 (12), 3269, 2018
재정 지원 요구사항 정책: Government of Spain, Government of Argentina
eSPC: an online data-analysis platform for molecular biophysics
O Burastero, S Niebling, LA Defelipe, C Günther, A Struve, ...
Acta Crystallographica Section D: Structural Biology 77 (10), 1241-1250, 2021
재정 지원 요구사항 정책: European Commission, Government of Argentina
New one-pot synthesis of anti-tuberculosis compounds inspired on isoniazid
DG Ghiano, A Recio-Balsells, A Bortolotti, LA Defelipe, A Turjanski, ...
European journal of medicinal chemistry 208, 112699, 2020
재정 지원 요구사항 정책: Government of Argentina
Cosolvent-based protein pharmacophore for ligand enrichment in virtual screening
JP Arcon, LA Defelipe, ED Lopez, O Burastero, CP Modenutti, X Barril, ...
Journal of Chemical Information and Modeling 59 (8), 3572-3583, 2019
재정 지원 요구사항 정책: Government of Spain, Government of Argentina
Kinase activation by small conformational changes
ED Lopez, O Burastero, JP Arcon, LA Defelipe, NG Ahn, MA Marti, ...
Journal of chemical information and modeling 60 (2), 821-832, 2019
재정 지원 요구사항 정책: US National Institutes of Health, Government of Argentina
A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis
LA Defelipe, DF Do Porto, PIP Ramos, MF Nicolás, E Sosa, L Radusky, ...
Tuberculosis 97, 181-192, 2016
재정 지원 요구사항 정책: Government of Argentina
FUNCTIONAL ANALYSIS OF A MOSQUITO SHORT‐CHAIN DEHYDROGENASE CLUSTER
JG Mayoral, KT Leonard, M Nouzova, FG Noriega, LA Defelipe, ...
Archives of insect biochemistry and physiology 82 (2), 96-115, 2013
재정 지원 요구사항 정책: US National Institutes of Health
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